2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid

C14H16FNO4 — CID 81283290

IUPAC2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid
SMILESCOc1cc(C(=O)N(CC(=O)O)CC2CC2)ccc1F
InChIInChI=1S/C14H16FNO4/c1-20-12-6-10(4-5-11(12)15)14(19)16(8-13(17)18)7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H,17,18)
InChIKeyRIRZEPVAQGRDEQ-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.77
Rot. Bonds6

About 2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid

2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid (PubChem CID 81283290) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid
PubChem CID81283290
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid
SMILESCOc1cc(C(=O)N(CC(=O)O)CC2CC2)ccc1F
InChIInChI=1S/C14H16FNO4/c1-20-12-6-10(4-5-11(12)15)14(19)16(8-13(17)18)7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H,17,18)
InChIKeyRIRZEPVAQGRDEQ-UHFFFAOYSA-N
XLogP1.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
CID 81283075
2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 81283722
2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid
CID 114036488
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
CID 43655299
2-[(4-fluoro-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 81283432
N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide
CID 115532616
2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 43655080
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083
2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid
CID 43655198
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
3-[(4-fluoro-3-methoxybenzoyl)-methylamino]propanoic acid
CID 81283720
2-[cyclopropylmethyl-(4-methylsulfonylbenzoyl)amino]acetic acid
CID 43655089

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid (CID 81283290) is 2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid is COc1cc(C(=O)N(CC(=O)O)CC2CC2)ccc1F.
What is the InChIKey of 2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid?
The InChIKey is RIRZEPVAQGRDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-20-12-6-10(4-5-11(12)15)14(19)16(8-13(17)18)7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid?
2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid has a molecular weight of 281.28 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 81283290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).